(E)-but-2-enedioic acid; isoquinoline

Systemtic Name: (E)-but-2-enedioic acid; isoquinoline Openeye Name: fumaric acid; isoquinoline CAS Name: (E)-2-butenedioic acid; isoquinoline IUPAC Name: (E)-but-2-enedioic acid; isoquinoline Traditional Name: fumaric acid; isoquinoline Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC=CC2=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC=CC2=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H7N.C4H4O4/c1-2-4-9-7-10-6-5-8(9)3-1;5-3(6)1-2-4(7)8/h1-7H;1-2H,(H,5,6)(H,7,8)/b;2-1+